Home Nitriles 2-(5-methylbenzofuran-2-yl)benzonitrile

2-(5-methylbenzofuran-2-yl)benzonitrile

CAS No.:
143381-79-7
Catalog Number:
AG01DKHW
Molecular Formula:
C16H11NO
Molecular Weight:
233.2646
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Product Description
Catalog Number:
AG01DKHW
Chemical Name:
2-(5-methylbenzofuran-2-yl)benzonitrile
CAS Number:
143381-79-7
Molecular Formula:
C16H11NO
Molecular Weight:
233.2646
MDL Number:
MFCD31652438
IUPAC Name:
2-(5-methyl-1-benzofuran-2-yl)benzonitrile
InChI:
InChI=1S/C16H11NO/c1-11-6-7-15-13(8-11)9-16(18-15)14-5-3-2-4-12(14)10-17/h2-9H,1H3
InChI Key:
OACAGQBRVQSDKA-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1c1cc2c(o1)ccc(c2)C
Properties
Complexity:
344  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.084g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.27g/mol
Monoisotopic Mass:
233.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties